2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide

C14H13FN2O — CID 113233055

IUPAC2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccnc(F)c1)c1ccccc1
InChIInChI=1S/C14H13FN2O/c1-10(11-5-3-2-4-6-11)17-14(18)12-7-8-16-13(15)9-12/h2-10H,1H3,(H,17,18)/t10-/m0/s1
InChIKeyJZNSURKZMJUJJQ-JTQLQIEISA-N
MW244.27 g/mol
LogP2.71
Rot. Bonds3

About 2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide

2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide (PubChem CID 113233055) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
PubChem CID113233055
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccnc(F)c1)c1ccccc1
InChIInChI=1S/C14H13FN2O/c1-10(11-5-3-2-4-6-11)17-14(18)12-7-8-16-13(15)9-12/h2-10H,1H3,(H,17,18)/t10-/m0/s1
InChIKeyJZNSURKZMJUJJQ-JTQLQIEISA-N
XLogP2.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide
CID 61293078
2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 61295487
2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 114326595
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide
CID 63183562
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide
CID 130993762
methyl N-[[4-(1-phenylethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112520281
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472
2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109165889
2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086006
3,4,5-trifluoro-N-(1-phenylethyl)benzamide
CID 63188112

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide (CID 113233055) is 2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide is C[C@H](NC(=O)c1ccnc(F)c1)c1ccccc1.
What is the InChIKey of 2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide?
The InChIKey is JZNSURKZMJUJJQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13FN2O/c1-10(11-5-3-2-4-6-11)17-14(18)12-7-8-16-13(15)9-12/h2-10H,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of 2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide?
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide has a molecular weight of 244.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide is sourced from PubChem (CID 113233055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).